Project name: C466S

Status: done

Started: 2026-05-14 00:40:07
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYSEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations Yes
alphaCutter usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:25)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:25)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:31:32)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/898d8239ea5a7af/tmp/folded.pdb                (00:31:32)
[INFO]       Main:     Simulation completed successfully.                                          (01:08:51)
Show buried residues

Minimal score value
-4.9559
Maximal score value
5.2307
Average score
-0.7637
Total score value
-1772.6482

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 M A 0.7001
2 G A -0.1968
3 P A -0.7069
4 G A -1.0392
5 A A -1.5752
6 R A -2.9547
7 G A -3.0578
8 R A -4.1983
9 R A -4.6908
10 R A -4.9559
11 R A -4.8566
12 R A -4.3419
13 R A -3.3536
14 P A -1.4781
15 M A -0.0628
16 S A -0.2535
17 P A -0.3491
18 P A -0.5055
19 P A -0.7062
20 P A -0.7109
21 P A -0.3694
22 P A -0.3754
23 P A -0.1285
24 V A 0.8876
25 R A -0.6297
26 A A 0.5545
27 L A 1.8696
28 P A 1.7143
29 L A 3.3328
30 L A 3.9603
31 L A 3.9423
32 L A 3.7678
33 L A 2.7940
34 A A 1.1695
35 G A -0.0006
36 P A -0.4357
37 G A -0.5122
38 A A -0.3089
39 A A -0.8987
40 A A -0.9634
41 P A -0.5032
42 P A -0.6954
43 C A -0.5590
44 L A 0.5083
45 D A -1.2870
46 G A -0.9091
47 S A -1.1368
48 P A -1.2195
49 C A -1.6732
50 A A -1.6211
51 N A -1.5611
52 G A -1.1958
53 G A 0.0000
54 R A -1.7493
55 C A 0.0000
56 T A -0.7813
57 Q A -1.6159
58 L A -0.9883
59 P A -1.1429
60 S A -1.6722
61 R A -2.8980
62 E A -2.8096
63 A A -1.5928
64 A A -1.3179
65 C A -1.0422
66 L A 0.3922
67 C A -0.2947
68 P A -0.1845
69 P A -0.4291
70 G A -0.9864
71 W A -0.9142
72 V A -0.9908
73 G A -1.2728
74 E A -2.4632
75 R A -2.9195
76 C A 0.0000
77 Q A -2.0576
78 L A -1.6739
79 E A -2.3127
80 D A -1.6301
81 P A -1.3833
82 C A -1.0005
83 H A -1.6097
84 S A -1.1375
85 G A -0.8556
86 P A -0.5680
87 C A -0.7859
88 A A -0.5409
89 G A -0.9854
90 R A -1.8313
91 G A -1.0898
92 V A 0.3413
93 C A -0.3611
94 Q A -1.0446
95 S A -0.6029
96 S A -0.1493
97 V A 0.6475
98 V A 1.5636
99 A A 0.6185
100 G A -0.2138
101 T A -0.2407
102 A A 0.0000
103 R A -1.4102
104 F A -0.7806
105 S A -0.8793
106 C A -0.9582
107 R A -1.7579
108 C A -1.1516
109 P A -1.2959
110 R A -2.0430
111 G A -0.5748
112 F A -0.3922
113 R A -0.6507
114 G A -0.5853
115 P A -0.7602
116 D A -0.8112
117 C A 0.0000
118 S A -0.2886
119 L A 0.4254
120 P A -0.0205
121 D A -0.4291
122 P A -0.1380
123 C A -0.1569
124 L A 0.0962
125 S A -0.0200
126 S A -0.2852
127 P A -0.4902
128 C A -1.1916
129 A A -1.6601
130 H A -1.7160
131 G A -1.2843
132 A A -1.5922
133 R A -1.8623
134 C A -0.3562
135 S A -0.2021
136 V A -0.0850
137 G A -0.7512
138 P A -1.2584
139 D A -2.2972
140 G A -1.5697
141 R A -2.0027
142 F A -0.6728
143 L A -0.1353
144 C A -0.8269
145 S A -0.9645
146 C A -1.3186
147 P A -0.8263
148 P A -0.5462
149 G A -0.8167
150 Y A -1.7889
151 Q A -2.3701
152 G A -2.4385
153 R A -2.4145
154 S A -1.9263
155 C A 0.0000
156 R A -2.8931
157 S A -2.1922
158 D A -1.8270
159 V A -1.0113
160 D A -0.9882
161 E A -1.3657
162 C A -1.5341
163 R A -1.7790
164 V A 0.0027
165 G A -1.1644
166 E A -2.3051
167 P A -1.5719
168 C A -1.8861
169 R A -2.4995
170 H A -2.0260
171 G A -1.6748
172 G A -1.6312
173 T A -1.2309
174 C A -1.4559
175 L A -0.9008
176 N A -1.1679
177 T A -0.7849
178 P A -0.9203
179 G A -1.0511
180 S A -0.7890
181 F A -1.1281
182 R A -1.8845
183 C A -1.5974
184 Q A -1.3724
185 C A -1.2374
186 P A -0.6184
187 A A 0.1413
188 G A 0.0897
189 Y A -0.5627
190 T A -0.6615
191 G A -0.9036
192 P A -1.0232
193 L A -1.3173
194 C A 0.0000
195 E A -1.8253
196 N A -1.5359
197 P A -0.5383
198 A A 0.3566
199 V A 0.9931
200 P A 0.0000
201 C A -0.1659
202 A A 0.0969
203 P A -0.0061
204 S A -0.6857
205 P A -1.0328
206 C A -1.9596
207 R A -2.7196
208 N A -1.8627
209 G A -1.2723
210 G A -1.5245
211 T A -1.0215
212 C A -1.6046
213 R A -2.6915
214 Q A -2.2333
215 S A -1.6089
216 G A -1.1933
217 D A -1.1335
218 L A 0.7060
219 T A -0.4146
220 Y A -1.3572
221 D A -2.1025
222 C A -1.9063
223 A A -0.7279
224 C A -0.7718
225 L A 0.1592
226 P A -0.0082
227 G A -0.4799
228 F A -1.0477
229 E A -2.0728
230 G A -1.9877
231 Q A -2.2337
232 N A -2.1950
233 C A 0.0000
234 E A -2.3295
235 V A -0.9212
236 N A -0.7417
237 V A -0.8470
238 D A -1.7010
239 D A -1.9143
240 C A -1.6530
241 P A -1.4117
242 G A -1.3822
243 H A -1.6358
244 R A -2.0740
245 C A 0.0000
246 L A 0.1349
247 N A -0.7881
248 G A -0.5743
249 G A -0.8281
250 T A -0.5864
251 C A -0.7756
252 V A -0.2210
253 D A -0.9313
254 G A -0.2855
255 V A 0.4843
256 N A -0.8392
257 T A -0.7828
258 Y A -1.3318
259 N A -1.6210
260 C A -1.2692
261 Q A -1.3638
262 C A -1.0268
263 P A -0.6391
264 P A -0.7513
265 E A -1.0994
266 W A -1.0524
267 T A -1.3284
268 G A -1.6537
269 Q A -1.9143
270 F A -1.3087
271 C A 0.0000
272 T A -1.1810
273 E A -1.9975
274 D A -1.1846
275 V A -0.7995
276 D A -0.9636
277 E A -1.1240
278 C A -1.0188
279 Q A -1.1897
280 L A -0.0219
281 Q A -1.4741
282 P A -1.5271
283 N A -2.1257
284 A A -1.5191
285 C A 0.0000
286 H A -2.1340
287 N A -1.5762
288 G A -1.3285
289 G A -0.9174
290 T A -0.3552
291 C A -0.5227
292 F A 0.2804
293 N A -0.3727
294 T A 0.2466
295 L A 0.9136
296 G A -0.3191
297 G A -0.2665
298 H A -0.5829
299 S A -0.5851
300 C A -0.4722
301 V A -0.0504
302 C A -0.6653
303 V A 0.0000
304 N A -0.2283
305 G A 0.0000
306 W A -0.6916
307 T A -1.1929
308 G A -1.5695
309 E A -2.2787
310 S A -1.7882
311 C A 0.0000
312 S A -1.6736
313 Q A -2.0474
314 N A -1.2704
315 I A -0.8577
316 D A -2.0483
317 D A -0.9663
318 C A -0.4067
319 A A -0.2852
320 T A 0.1263
321 A A 0.6980
322 V A 1.9561
323 C A 1.7296
324 F A 1.0726
325 H A -0.6555
326 G A -0.4554
327 A A 0.3235
328 T A 0.3014
329 C A 0.3769
330 H A -0.6636
331 D A -1.2076
332 R A -1.3566
333 V A 0.1572
334 A A 0.0000
335 S A -0.4041
336 F A 0.2872
337 Y A 1.3628
338 C A 1.5707
339 A A 0.7375
340 C A 0.6815
341 P A 0.2143
342 M A 0.8105
343 G A -0.0197
344 K A -0.8050
345 T A -0.3896
346 G A 0.7099
347 L A 2.4298
348 L A 1.8812
349 C A 0.0000
350 H A 0.0441
351 L A -0.9853
352 D A -2.3220
353 D A -1.5819
354 A A -1.2885
355 C A -0.3161
356 V A 0.7829
357 S A -0.1429
358 N A -1.0517
359 P A -1.0911
360 C A 0.0000
361 H A -2.2064
362 E A -2.8861
363 D A -2.1990
364 A A -0.7946
365 I A 1.1069
366 C A 0.0910
367 D A -0.6718
368 T A -0.9271
369 N A -0.6794
370 P A 0.0084
371 V A 0.8738
372 N A -1.8850
373 G A 0.0000
374 R A -2.2849
375 A A -0.9202
376 I A 0.2176
377 C A 0.1398
378 T A 0.4631
379 C A -0.2876
380 P A -0.3487
381 P A -0.4957
382 G A -0.9595
383 F A -1.4982
384 T A -1.1077
385 G A -1.3860
386 G A -1.0560
387 A A -1.2659
388 C A 0.0000
389 D A -2.9496
390 Q A -2.6119
391 D A -2.1081
392 V A -0.9639
393 D A -0.9144
394 E A -0.2038
395 C A -0.0905
396 S A 0.1641
397 I A 1.2473
398 G A 0.1808
399 A A -0.4858
400 N A -1.5288
401 P A -0.9910
402 C A 0.0000
403 E A -2.5307
404 H A -1.7481
405 L A -0.1273
406 G A 0.0000
407 R A -2.0927
408 C A 0.0000
409 V A 0.1490
410 N A -0.3937
411 T A -0.4473
412 Q A -1.7224
413 G A -1.5294
414 S A -0.2921
415 F A 0.2441
416 L A 0.7512
417 C A -0.8995
418 Q A -1.6496
419 C A -1.6245
420 G A -1.3772
421 R A -2.0414
422 G A -1.4031
423 Y A -1.4014
424 T A -1.6000
425 G A -1.3744
426 P A -1.0020
427 R A -2.1969
428 C A 0.0000
429 E A -2.4190
430 T A -1.8407
431 D A -2.1933
432 V A -1.0705
433 N A -0.8398
434 E A -0.8926
435 C A -0.0753
436 L A 0.9293
437 S A 0.0988
438 G A -0.5003
439 P A -0.3312
440 C A -0.8218
441 R A -2.3536
442 N A -1.8999
443 Q A -1.8431
444 A A -0.4640
445 T A 0.2447
446 C A 0.4481
447 L A 0.5473
448 D A -1.0222
449 R A -1.5816
450 I A -0.2202
451 G A 0.0000
452 Q A -1.5102
453 F A -0.4778
454 T A 0.2273
455 C A 0.7745
456 I A 1.7933
457 C A 0.6900
458 M A 0.1772
459 A A 0.2823
460 G A -0.6471
461 F A -0.2320
462 T A 0.3410
463 G A -0.0109
464 T A 0.2029
465 Y A 0.1472
466 S A 0.0000
467 E A -1.0862
468 V A -0.2234
469 D A -1.7296
470 I A -1.3171
471 D A -3.2245
472 E A -3.0975
473 C A -2.2767
474 Q A -2.2687
475 S A -1.3728
476 S A -0.6667
477 P A -0.0674
478 C A 0.3175
479 V A 0.5703
480 N A -0.7335
481 G A -0.2694
482 G A 0.3805
483 V A 1.2598
484 C A -0.3739
485 K A -2.3118
486 D A -3.6580
487 R A -2.9303
488 V A -0.6652
489 N A -1.5338
490 G A -1.5520
491 F A -1.7320
492 S A -0.8366
493 C A 0.2098
494 T A 0.3790
495 C A 0.3509
496 P A -0.3123
497 S A -0.8888
498 G A -1.5896
499 F A -0.9538
500 S A -0.5783
501 G A -0.4987
502 S A -0.2323
503 T A 0.0574
504 C A 0.0000
505 Q A -0.9838
506 L A -0.3315
507 D A -2.3434
508 V A -1.6188
509 D A -2.6004
510 E A -2.2156
511 C A -1.4842
512 A A -0.8145
513 S A -0.5630
514 T A -0.8364
515 P A -0.7050
516 C A 0.0000
517 R A -3.0689
518 N A -3.0640
519 G A -2.2732
520 A A -2.8792
521 K A -2.9704
522 C A -2.2908
523 V A -2.0601
524 D A -3.1885
525 Q A -2.7389
526 P A -2.3036
527 D A -2.7567
528 G A -2.0328
529 Y A -1.9776
530 E A -2.5633
531 C A -2.4521
532 R A -3.1233
533 C A -2.9107
534 A A -1.9091
535 E A -1.9759
536 G A -1.3182
537 F A -2.7545
538 E A -3.2886
539 G A -2.2802
540 T A -1.5186
541 L A -1.9745
542 C A 0.0000
543 D A -3.8069
544 R A -3.8755
545 N A -3.1182
546 V A -1.8793
547 D A -2.3850
548 D A -1.7337
549 C A -1.8721
550 S A -1.7171
551 P A -1.5757
552 D A -2.7546
553 P A -1.7801
554 C A -2.0935
555 H A -2.5482
556 H A -2.0236
557 G A -1.8097
558 R A -2.2472
559 C A 0.0000
560 V A -0.1136
561 D A -1.6063
562 G A -0.1170
563 I A 0.6351
564 A A -0.2268
565 S A -0.0332
566 F A -0.3111
567 S A -0.3593
568 C A -0.9925
569 A A -0.3916
570 C A -0.9797
571 A A -0.8403
572 P A -0.6846
573 G A -0.9250
574 Y A -1.1981
575 T A -1.0776
576 G A -1.2955
577 T A -1.0595
578 R A -2.4395
579 C A 0.0000
580 E A -2.6513
581 S A -1.8696
582 Q A -1.6159
583 V A -1.6770
584 D A -2.6787
585 E A -2.3678
586 C A 0.0000
587 R A -3.0613
588 S A -1.9928
589 Q A -2.6850
590 P A -1.5584
591 C A 0.0000
592 R A -2.6241
593 H A -1.5993
594 G A -2.0651
595 G A -2.2225
596 K A -2.8093
597 C A 0.0000
598 L A -0.9033
599 D A -1.7625
600 L A -0.0408
601 V A 0.0910
602 D A -2.0612
603 K A -1.8338
604 Y A -0.4973
605 L A 0.2309
606 C A -1.0300
607 R A -2.0928
608 C A -1.2492
609 P A -1.1899
610 S A -0.5670
611 G A -0.6822
612 T A 0.0000
613 T A 0.0639
614 G A 0.2645
615 V A 1.3410
616 N A -0.5052
617 C A 0.0000
618 E A -0.5281
619 V A 0.5683
620 N A -0.6813
621 I A -0.3078
622 D A -2.2016
623 D A -2.7505
624 C A -2.1168
625 A A -1.0614
626 S A -1.1815
627 N A -1.3139
628 P A -0.3861
629 C A 0.1562
630 T A 0.5818
631 F A 1.3187
632 G A 0.7008
633 V A 1.2186
634 C A -0.6660
635 R A -2.6755
636 D A -2.6683
637 G A -2.0882
638 I A -0.7301
639 N A -2.1120
640 R A -3.0091
641 Y A -2.4947
642 D A -2.2961
643 C A 0.0000
644 V A 0.5131
645 C A 0.2508
646 Q A -0.6702
647 P A -1.3035
648 G A 0.0000
649 F A -0.5982
650 T A 0.1258
651 G A 0.2936
652 P A -0.1831
653 L A 0.7827
654 C A 0.0000
655 N A -0.2848
656 V A 0.6192
657 E A -1.5172
658 I A -1.0686
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2245 L A 1.9852
2246 T A 0.7763
2247 P A 0.0535
2248 S A -0.8670
2249 P A -1.3983
2250 E A -2.3699
2251 S A -1.9414
2252 P A -1.8047
2253 E A -2.3957
2254 H A -1.3915
2255 W A 0.1471
2256 A A 0.0066
2257 S A -0.2606
2258 P A -0.4023
2259 S A -0.6066
2260 P A -0.4539
2261 P A -0.2933
2262 S A 0.2851
2263 L A 0.9657
2264 S A -0.0863
2265 D A -1.1627
2266 W A -0.1030
2267 S A -1.1003
2268 E A -1.9924
2269 S A -1.2724
2270 T A -0.7935
2271 P A -0.5024
2272 S A -0.5017
2273 P A -0.4153
2274 A A -0.1813
2275 T A -0.1024
2276 A A -0.1029
2277 T A -0.2790
2278 G A -0.2016
2279 A A 0.3028
2280 M A 0.9795
2281 A A 0.5143
2282 T A 0.0972
2283 T A -0.1322
2284 T A -0.3728
2285 G A -0.1908
2286 A A 0.6095
2287 L A 1.2464
2288 P A 0.1865
2289 A A -0.3404
2290 Q A -0.8414
2291 P A -0.1636
2292 L A 1.3227
2293 P A 1.0593
2294 L A 2.0261
2295 S A 1.4100
2296 V A 1.8380
2297 P A 0.3999
2298 S A 0.2873
2299 S A 0.3974
2300 L A 1.1496
2301 A A 0.1401
2302 Q A -1.0241
2303 A A -1.1569
2304 Q A -1.6897
2305 T A -0.9790
2306 Q A -0.8371
2307 L A 0.6437
2308 G A -0.2424
2309 P A -0.8148
2310 Q A -1.9598
2311 P A -1.3881
2312 E A -1.2599
2313 V A 0.6307
2314 T A -0.2858
2315 P A -1.3461
2316 K A -3.0171
2317 R A -3.0406
2318 Q A -1.4267
2319 V A 1.6202
2320 L A 2.2518
2321 A A 1.1950
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Calculations for various pH values

This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.

pH
Average A4D Score
Max A4D Score
4.0 -0.0831 6.496 View CSV PDB
4.5 -0.1671 6.496 View CSV PDB
5.0 -0.2688 6.496 View CSV PDB
5.5 -0.3745 6.496 View CSV PDB
6.0 -0.4715 6.496 View CSV PDB
6.5 -0.5522 6.496 View CSV PDB
7.0 -0.6157 6.496 View CSV PDB
7.5 -0.6671 6.496 View CSV PDB
8.0 -0.7097 6.496 View CSV PDB
8.5 -0.7421 6.496 View CSV PDB
9.0 -0.7609 6.496 View CSV PDB